SCHEMBL4201770

SCHEMBL4201770

Cc1ccc(NC(=O)Nc2cccc(-c3c(C#N)cnc4cc(-c5cccnc5)sc34)c2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.58
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
ABL1 P00519 7/20 0.44
BLM P54132 1/20 0.44
CNR1 P21554 1/20 0.43
BCR P11274 5/20 0.43
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MCL1 Q07820 1/20 0.41
KDR P35968 2/20 0.40
CYP3A4 P08684 1/20 0.40
HDAC3 O15379 1/20 0.40
PDGFRB P09619 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4191033 0.95 BRAF (0.64) BRAFMEN1KMT2ALMNAMAPT
SCHEMBL4198711 0.89 BRAF (0.59) BRAFMEN1KMT2AMAPTCNR1
SCHEMBL4204275 0.88 BRAF (0.59) BRAFMEN1KMT2ALMNAMAPT
SCHEMBL4194851 0.86 BRAF (0.75) BRAFMEN1KMT2AMAPTKDR
SCHEMBL4205770 0.85 BRAF (0.62) BRAFBLMCNR1KDRCDK8
SCHEMBL4190525 0.84 BRAF (0.61) BRAFBLMCNR1KDRCDK8
SCHEMBL4203385 0.83 BRAF (0.65) BRAFBLMCNR1
SCHEMBL4195857 0.82 BRAF (0.66) BRAFMEN1KMT2ALMNAMAPT
SCHEMBL4195968 0.81 BRAF (0.70) BRAFMEN1KMT2ALMNAABL1
SCHEMBL3976693 0.80 BRAF (0.83) BRAFMEN1KMT2AMAPTBLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 BRAF 1/4885MEN1 4195/4885KMT2A 1956/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.